N-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxamide

C11H12ClN3OS2 — CID 119408363

IUPACN-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxamide
SMILESNCCCNC(=O)c1csc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C11H12ClN3OS2/c12-9-3-2-8(18-9)11-15-7(6-17-11)10(16)14-5-1-4-13/h2-3,6H,1,4-5,13H2,(H,14,16)
InChIKeyGEKNEFWVSJZLAF-UHFFFAOYSA-N
MW301.82 g/mol
LogP2.60
Rot. Bonds5

About N-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxamide

N-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 119408363) has the molecular formula C11H12ClN3OS2 and a molecular weight of 301.82 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID119408363
Molecular FormulaC11H12ClN3OS2
Molecular Weight301.82 g/mol
Exact Mass301.01
IUPAC NameN-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxamide
SMILESNCCCNC(=O)c1csc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C11H12ClN3OS2/c12-9-3-2-8(18-9)11-15-7(6-17-11)10(16)14-5-1-4-13/h2-3,6H,1,4-5,13H2,(H,14,16)
InChIKeyGEKNEFWVSJZLAF-UHFFFAOYSA-N
XLogP2.60
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-chlorothiophen-2-yl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide
CID 110904430
2-(5-chlorothiophen-2-yl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 119558785
N-(2-aminoethyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 39162463
ethyl 2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylate
CID 78974871
2-(aminomethyl)-N-(3-aminopropyl)-1,3-thiazole-4-carboxamide
CID 66375745
2-(5-chlorothiophen-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 47391969
2-(5-chlorothiophen-2-yl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 119389747
2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]butanoic acid
CID 119223531
N-(2-carbamoylphenyl)-2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxamide
CID 60584375
4-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoic acid
CID 119203967
3-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-ethylamino]propanoic acid
CID 119191125
2-(5-chlorothiophen-2-yl)-N-methoxy-N-methyl-1,3-thiazole-4-carboxamide
CID 47391839

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxamide (CID 119408363) is N-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxamide is NCCCNC(=O)c1csc(-c2ccc(Cl)s2)n1.
What is the InChIKey of N-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is GEKNEFWVSJZLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3OS2/c12-9-3-2-8(18-9)11-15-7(6-17-11)10(16)14-5-1-4-13/h2-3,6H,1,4-5,13H2,(H,14,16).
What are the key properties of N-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxamide?
N-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 301.82 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119408363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).